Information card for entry 7214532

Structure parameters

• Formula: C55 H57.9 Co2 N4 O16.35
• Calculated formula: C55.2 H48 Co2 N4 O16.35
• Title of publication: Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate
• Authors of publication: Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9521
• a: 17.0218 ± 0.0005 Å
• b: 10.599 ± 0.0003 Å
• c: 18.3064 ± 0.0005 Å
• α: 90°
• β: 106.073 ± 0.001°
• γ: 90°
• Cell volume: 3173.63 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No